ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

C15H22N2O3 — CID 72946782

IUPACethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyHTOYBIILVCHURC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.87
Rot. Bonds8

About ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate

ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate (PubChem CID 72946782) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
PubChem CID72946782
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
SMILESCCOC(=O)NCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19)
InChIKeyHTOYBIILVCHURC-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
2-phenylethyl 4-(ethoxycarbonylamino)butanoate
CID 155528257
tert-butyl N-[[4-[2-[4-(ethoxycarbonylamino)butanoylamino]ethyl]phenyl]methyl]carbamate
CID 163196886
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
ethyl 4-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]butanoate
CID 111135947
N-(4-phenylbutyl)hexanamide
CID 4985988
3-[2-(ethoxycarbonylamino)ethyl]benzoic acid
CID 63794940
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The IUPAC name of ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate (CID 72946782) is ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate.
What is the SMILES notation for ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The canonical SMILES for ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate is CCOC(=O)NCCCC(=O)NCCc1ccccc1.
What is the InChIKey of ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
The InChIKey is HTOYBIILVCHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(19)17-11-6-9-14(18)16-12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate?
ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate is sourced from PubChem (CID 72946782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).